pdCIF for storing unprocessed measurements
Toby, B. H.,
International Tables for Crystallography
(2006).
Vol. G,
Section 3.3.8,
p.
[ doi:10.1107/97809553602060000735 ]
The data items used to specify the unprocessed observations will vary with the type of instrument used, as described in Sections
3.3.8.1 to
3.3.8.10 below.
3.3.8.1. Single pulse-counting detectors
| top | pdf |
In the most ...
Energy-dispersive X-ray detection
Toby, B. H.,
International Tables for Crystallography
(2006).
Vol. G,
Section 3.3.8.4,
p.
[ doi:10.1107/97809553602060000735 ]
since calibration information is required. The calibration equation should be described in _pd_calibration_conversion_eqn .
In Example
3.3.8.4, the nominal setting is 6.5°, but the actual position (determined by prior calibration ...
Use of an incident-intensity monitor
Toby, B. H.,
International Tables for Crystallography
(2006).
Vol. G,
Section 3.3.8.9,
p.
[ doi:10.1107/97809553602060000735 ]
...
Detectors that do not count pulses
Toby, B. H.,
International Tables for Crystallography
(2006).
Vol. G,
Section 3.3.8.2,
p.
[ doi:10.1107/97809553602060000735 ]
] The _pd_meas entries for an experiment using non-pulse-counting detection will look like the examples given in Section
3.3.8.1, except that the data loop will be in the form
or
If standard uncertainties for the intensity values are known ...
Single pulse-counting detectors
Toby, B. H.,
International Tables for Crystallography
(2006).
Vol. G,
Section 3.3.8.1,
p.
[ doi:10.1107/97809553602060000735 ]
in Example
3.3.8.1 . If the data were scanned using a variable step size, the observations might be given as shown in Example
3.3.8.2 . Note that when _pd_meas_counts_* is used, the values given must be counts, so that the standard uncertainty ...
Noting sample orientation
Toby, B. H.,
International Tables for Crystallography
(2006).
Vol. G,
Section 3.3.8.8,
p.
[ doi:10.1107/97809553602060000735 ]
...
Direct background measurements
Toby, B. H.,
International Tables for Crystallography
(2006).
Vol. G,
Section 3.3.8.7,
p.
[ doi:10.1107/97809553602060000735 ]
...
Digitized film and image plates
Toby, B. H.,
International Tables for Crystallography
(2006).
Vol. G,
Section 3.3.8.6,
p.
[ doi:10.1107/97809553602060000735 ]
can then be assigned using calibration information, and they can then be included in the same loop, as in Section
3.3.8.4 .
References
International Tables for Crystallography (2006). Vol. G. ch. 3.3, p. 127 ...
Neutron time-of-flight detection
Toby, B. H.,
International Tables for Crystallography
(2006).
Vol. G,
Section 3.3.8.5,
p.
[ doi:10.1107/97809553602060000735 ]
is assigned a detector ID. In a second loop, the detector ID values are defined. In addition to, _pd_meas_angle_omega and _pd_meas_angle_chi are defined where needed (Example
3.3.8.5).
Example
3.3.8.5. Measurements ...
Recording detector livetime
Toby, B. H.,
International Tables for Crystallography
(2006).
Vol. G,
Section 3.3.8.10,
p.
[ doi:10.1107/97809553602060000735 ]
the livetime signal, the count time can be multiplied by the livetime or the livetime can be treated as a monitor (see Section
3.3.8.9). If an incident-intensity monitor and a livetime are both available, the _pd_meas_intensity_monitor ...
